CALCIUM NONAN-1-OATE

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Keyword(s): Food Contact Chemicals ; Plastic additives
Molecule Category Salt-form

Structure

InChI Key QSSGIYRIEKPVTG-UHFFFAOYSA-L
Smiles [Ca+2].CCCCCCCCC(=O)[O-].CCCCCCCCC(=O)[O-]
InChI
InChI=1/2C9H18O2.Ca/c2*1-2-3-4-5-6-7-8-9(10)11;/h2*2-8H2,1H3,(H,10,11);/q;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H34CaO4
Molecular Weight 354.21
AlogP 2.59
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 14.0
Polar Surface Area 80.26
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 29813-38-5
NORMAN SUSDAT
CONTENTS